4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine

C7H5Cl2N3 — CID 123651895

IUPAC4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(Cl)c[nH]c2n1
InChIInChI=1S/C7H5Cl2N3/c1-3-11-6(9)5-4(8)2-10-7(5)12-3/h2H,1H3,(H,10,11,12)
InChIKeyJOYPAQDKPSUNHY-UHFFFAOYSA-N
MW202.04 g/mol
LogP2.57
Rot. Bonds

About 4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine

4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 123651895) has the molecular formula C7H5Cl2N3 and a molecular weight of 202.04 g/mol. Its IUPAC name is 4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID123651895
Molecular FormulaC7H5Cl2N3
Molecular Weight202.04 g/mol
Exact Mass200.99
IUPAC Name4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1nc(Cl)c2c(Cl)c[nH]c2n1
InChIInChI=1S/C7H5Cl2N3/c1-3-11-6(9)5-4(8)2-10-7(5)12-3/h2H,1H3,(H,10,11,12)
InChIKeyJOYPAQDKPSUNHY-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine (CID 123651895) is 4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine is Cc1nc(Cl)c2c(Cl)c[nH]c2n1.
What is the InChIKey of 4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is JOYPAQDKPSUNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2N3/c1-3-11-6(9)5-4(8)2-10-7(5)12-3/h2H,1H3,(H,10,11,12).
What are the key properties of 4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine?
4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 202.04 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 123651895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).